1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

C21H24N4O3 — CID 164690377

IUPAC1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cc2c(cc1OC)C1(CCN(c3cncc4nccn34)CC1)OCC2
InChIInChI=1S/C21H24N4O3/c1-26-17-11-15-3-10-28-21(16(15)12-18(17)27-2)4-7-24(8-5-21)20-14-22-13-19-23-6-9-25(19)20/h6,9,11-14H,3-5,7-8,10H2,1-2H3
InChIKeyFTYYREPFSAJAHS-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.81
Rot. Bonds3

About 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 164690377) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID164690377
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1cc2c(cc1OC)C1(CCN(c3cncc4nccn34)CC1)OCC2
InChIInChI=1S/C21H24N4O3/c1-26-17-11-15-3-10-28-21(16(15)12-18(17)27-2)4-7-24(8-5-21)20-14-22-13-19-23-6-9-25(19)20/h6,9,11-14H,3-5,7-8,10H2,1-2H3
InChIKeyFTYYREPFSAJAHS-UHFFFAOYSA-N
XLogP2.81
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 164690377) is 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1cc2c(cc1OC)C1(CCN(c3cncc4nccn34)CC1)OCC2.
What is the InChIKey of 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is FTYYREPFSAJAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-17-11-15-3-10-28-21(16(15)12-18(17)27-2)4-7-24(8-5-21)20-14-22-13-19-23-6-9-25(19)20/h6,9,11-14H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 380.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-imidazo[1,2-a]pyrazin-5-yl-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 164690377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).